iron(6+);hexacyanide;hydrate

C6H2FeN6O — CID 88713439

IUPACiron(6+);hexacyanide;hydrate
SMILESO.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+6]
InChIInChI=1S/6CN.Fe.H2O/c6*1-2;;/h;;;;;;;1H2/q6*-1;+6;
InChIKeyDIJCEKIMSZMIAY-UHFFFAOYSA-N
MW229.97 g/mol
LogP-0.25
Rot. Bonds

About iron(6+);hexacyanide;hydrate

iron(6+);hexacyanide;hydrate (PubChem CID 88713439) has the molecular formula C6H2FeN6O and a molecular weight of 229.97 g/mol. Its IUPAC name is iron(6+);hexacyanide;hydrate.

Molecular Properties

Compound Nameiron(6+);hexacyanide;hydrate
PubChem CID88713439
Molecular FormulaC6H2FeN6O
Molecular Weight229.97 g/mol
Exact Mass229.96
IUPAC Nameiron(6+);hexacyanide;hydrate
SMILESO.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+6]
InChIInChI=1S/6CN.Fe.H2O/c6*1-2;;/h;;;;;;;1H2/q6*-1;+6;
InChIKeyDIJCEKIMSZMIAY-UHFFFAOYSA-N
XLogP-0.25
TPSA174.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.97
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of iron(6+);hexacyanide;hydrate?
The IUPAC name of iron(6+);hexacyanide;hydrate (CID 88713439) is iron(6+);hexacyanide;hydrate.
What is the SMILES notation for iron(6+);hexacyanide;hydrate?
The canonical SMILES for iron(6+);hexacyanide;hydrate is O.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[Fe+6].
What is the InChIKey of iron(6+);hexacyanide;hydrate?
The InChIKey is DIJCEKIMSZMIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/6CN.Fe.H2O/c6*1-2;;/h;;;;;;;1H2/q6*-1;+6;.
What are the key properties of iron(6+);hexacyanide;hydrate?
iron(6+);hexacyanide;hydrate has a molecular weight of 229.97 g/mol, XLogP of -0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for iron(6+);hexacyanide;hydrate is sourced from PubChem (CID 88713439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).